SCHEMBL6494381

SCHEMBL6494381

C[Si](C)(C)C#Cc1ccc2c(c1)C(CNC(=O)OCc1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
CASP1 P29466 1/20 0.40
NQO2 P16083 1/20 0.40
MTNR1B P49286 1/20 0.40
FFAR1 O14842 1/20 0.39
KCNA5 P22460 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6483944 0.85 MTNR1A (0.43) MTNR1ACA1CA2ACHECASP1
SCHEMBL6491979 0.80 MTNR1A (0.46) MTNR1ACA1CA2ACHECASP1
SCHEMBL3897483 0.68 HTR6 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3897486 0.68 HTR6 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8393648 0.67 LMNA (0.58) ALDH1A1CYP1A2MEN1KMT2ALMNA
SCHEMBL24897357 0.66 LMNA (0.54) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL25774187 0.66 LMNA (0.54) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6494578 0.66 CYP11B1 (0.34)
SCHEMBL13934739 0.66 IDO1 (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL29332373 0.66 LMNA (0.50) ALDH1A1ATMLMNASMN1; SMN2KEAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919335-B2 Administering a therapeutically effective amount of a heterocyclic compound to the patient for the treatment of inosine monophosphate dehydrogenase associated disorders, such as allograft rejection BRISTOL-MYERS SQUIBB CO. (US) 2005-07-19 US disclosed
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme XDH, IMPDH1, IMPDH2 MTNR1A 2950/4885CA1 2684/4885CA2 2058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.